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0 0 0 0 0 11.6602 0.7315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6602 1.5942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9786 2.0614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9786 2.9191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7365 3.3099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3656 2.8954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3656 1.9851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0423 1.5132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7365 4.0964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1732 1.6943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5991 0.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6298 0.1834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8434 -0.0786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8262 -1.6752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3019 -2.4568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2628 -2.1947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8405 -0.8651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5956 -1.4798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 4 1 0 0 0 0 5 6 1 6 0 0 0 7 6 1 0 0 0 0 8 7 1 0 0 0 0 9 8 1 0 0 0 0 9 10 1 1 0 0 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0 0 0 0 69 60 1 0 0 0 0 70 69 1 0 0 0 0 71 58 2 0 0 0 0 35 72 1 6 0 0 0 73 26 1 0 0 0 0 73 74 1 0 0 0 0 74 75 1 0 0 0 0 75 76 1 0 0 0 0 76 22 1 0 0 0 0 75 77 1 1 0 0 0 74 78 1 1 0 0 0 74 24 1 0 0 0 0 24 79 1 6 0 0 0 23 80 1 1 0 0 0 22 81 1 6 0 0 0 82 20 1 0 0 0 0 82 83 1 0 0 0 0 83 84 1 0 0 0 0 84 18 1 0 0 0 0 83 85 1 1 0 0 0 82 86 1 1 0 0 0 87 86 1 0 0 0 0 19 88 1 6 0 0 0 18 89 1 6 0 0 0 8 90 1 1 0 0 0 91 90 1 0 0 0 0 7 92 1 6 0 0 0 93 5 1 0 0 0 0 93 94 1 0 0 0 0 94 95 1 0 0 0 0 95 96 1 0 0 0 0 1 96 1 6 0 0 0 95 97 1 1 0 0 0 95 3 1 0 0 0 0 4 98 1 1 0 0 0 3 99 1 6 0 0 0 100 1 1 0 0 0 0 101100 1 0 0 0 0 102101 1 0 0 0 0 102103 1 1 0 0 0 104103 1 0 0 0 0 105104 1 0 0 0 0 106105 2 0 0 0 0 107106 1 0 0 0 0 108107 2 0 0 0 0 108109 1 0 0 0 0 109110 2 0 0 0 0 110105 1 0 0 0 0 111110 1 0 0 0 0 112108 1 0 0 0 0 113106 1 0 0 0 0 114104 2 0 0 0 0 115102 1 0 0 0 0 115116 1 0 0 0 0 116 1 1 0 0 0 0 117101 1 0 0 0 0 118117 1 0 0 0 0 118119 1 0 0 0 0 119100 1 0 0 0 0 101120 1 1 0 0 0 100121 1 6 0 0 0 M CHG 2 46 1 47 -1 M END > DB06431 > drugbank > [H][C@]12CO[C@@H](O[C@]3([H])O[C@H](COC)[C@@H](O[C@]4([H])O[C@H](C)[C@H](OC)[C@H](O[C@]5([H])O[C@H](C)[C@@]6([H])O[C@]7(C[C@@H](O)[C@H](O[C@@]8([H])C[C@@H](O[C@@]9([H])C[C@@](C)([C@@H](OC)[C@H](C)O9)[N+]([O-])=O)[C@H](OC(=O)C9=C(OC)C(Cl)=C(O)C(Cl)=C9C)[C@@H](C)O8)[C@@H](C)O7)O[C@]6(C)[C@@H]5O)[C@H]4O)[C@H](O)[C@@H]3OC)[C@H](O)[C@]1([H])O[C@@]1(O2)OC[C@@H](OC(=O)C2=C(O)C=C(O)C=C2C)[C@]2([H])OCO[C@@]12[H] > InChI=1S/C70H97Cl2NO38/c1-24-15-31(74)16-32(75)40(24)61(82)100-36-22-94-70(60-53(36)92-23-93-60)108-37-21-91-63(46(79)52(37)109-70)106-65-56(89-13)45(78)51(35(101-65)20-86-10)104-64-47(80)55(50(87-11)27(4)97-64)105-66-57(81)68(9)59(30(7)98-66)110-69(111-68)18-33(76)48(28(5)107-69)102-38-17-34(99-39-19-67(8,73(84)85)58(90-14)29(6)96-39)49(26(3)95-38)103-62(83)41-25(2)42(71)44(77)43(72)54(41)88-12/h15-16,26-30,33-39,45-53,55-60,63-66,74-81H,17-23H2,1-14H3/t26-,27-,28-,29+,30-,33-,34-,35-,36-,37+,38+,39+,45+,46-,47-,48-,49-,50+,51-,52-,53+,55-,56+,57-,58+,59-,60-,63+,64+,65+,66+,67+,68-,69-,70-/m1/s1 > UPADRKHAIMTUCC-OWALTSPQSA-N > C70H97Cl2NO38 > 1631.42 > 1629.5065631 > 36 > 208 > -0.9579960065476576 > 160.30323738138057 > 0 > 8 > 0 > 0 > (2R,3R,4R,6S)-6-[(2R,3aR,4R,4'R,5'S,6S,6'R,7S,7aR)-6-{[(2S,3R,4R,5S,6R)-2-{[(2R,3S,4S,5S,6S)-6-[(2R,3aS,3'aR,6S,7R,7'R,7aS,7'aS)-7'-(2,4-dihydroxy-6-methylbenzoyloxy)-octahydro-2'H,3aH-2,4'-spirobi[[1,3]dioxolo[4,5-c]pyran]-7-oloxy]-4-hydroxy-5-methoxy-2-(methoxymethyl)oxan-3-yl]oxy}-3-hydroxy-5-methoxy-6-methyloxan-4-yl]oxy}-4,6',7a-trimethyl-tetrahydro-3aH-spiro[[1,3]dioxolo[4,5-c]pyran-2,2'-oxane]-4',7-dioloxy]-4-{[(2S,4S,5R,6S)-5-methoxy-4,6-dimethyl-4-nitrooxan-2-yl]oxy}-2-methyloxan-3-yl 3,5-dichloro-4-hydroxy-2-methoxy-6-methylbenzoate > 3.03 > 4.949123650333329 > -3.58 > 1 > -1 > 13 > -1 > 8.696244384949418 > 5.820489448799047 > -3.302771193539424 > 479.10000000000025 > 362.00839999999994 > 23 > 0 > 4.32e-01 g/l > N-[(1R,3S,5S)-8-[2-(4-acetylpiperazin-1-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-isopropylindazole-3-carboxamide > 0 > DB06431 > investigational > Evernimicin > Evernimicin > Ziracin $$$$